SCHEMBL4304078

SCHEMBL4304078

CN(C)C(=O)CN(CC1CCCCC1)C(=O)C(=O)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A4 P31645 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CNR2 P34972 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3120950 0.89 ALDH1A1 (0.40) MAPK14ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL4310271 0.88 ALDH1A1 (0.41) MAPK14ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL3121013 0.85 ALDH1A1 (0.40) MAPK14ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL4312756 0.85 HDAC1 (0.47) ALDH1A1MAPTL3MBTL1KMT2APKM
SCHEMBL4313368 0.85 ALDH1A1 (0.43) MAPK14ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL4312470 0.82 ALDH1A1 (0.42) MAPK14ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL4306692 0.81 HDAC1 (0.42) ALDH1A1MAPTL3MBTL1KMT2AROCK2
SCHEMBL7982425 0.81 PKM (0.43) MAPK14ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL4306639 0.81 MAPK14 (0.37) MAPK14ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL7946315 0.80 MAPK14 (0.36) MAPK14ALDH1A1MAPTL3MBTL1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed